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(Q82056601)
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English
dimethyl 5-[(4-chloro-2-nitrophenyl)carbamoylamino]benzene-1,3-dicarboxylate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
407.05202746799984
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₄ClN₃O₇
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canonical SMILES
COC(=O)C1=CC(=CC(=C1)NC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC
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Identifiers
InChI
InChI=1S/C17H14ClN3O7/c1-27-15(22)9-5-10(16(23)28-2)7-12(6-9)19-17(24)20-13-4-3-11(18)8-14(13)21(25)26/h3-8H,1-2H3,(H2,19,20,24)
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InChIKey
IPASKAXDRNCUFE-UHFFFAOYSA-N
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CAS Registry Number
6677-32-3
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PubChem CID
307582
1 reference
matched by identifier from
InChIKey
InChIKey
IPASKAXDRNCUFE-UHFFFAOYSA-N
UniChem compound ID
15472056
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20308631
1 reference
matched by identifier from
InChIKey
InChIKey
IPASKAXDRNCUFE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40259757
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